(4S)-hexa-1,5-diene-3,4-diol

C6H10O2 — CID 15562511

IUPAC(4S)-hexa-1,5-diene-3,4-diol
SMILESC=CC(O)[C@@H](O)C=C
InChIInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2/t5-,6?/m0/s1
InChIKeyKUQWZSZYIQGTHT-ZBHICJROSA-N
MW114.14 g/mol
LogP0.08
Rot. Bonds3

About (4S)-hexa-1,5-diene-3,4-diol

(4S)-hexa-1,5-diene-3,4-diol (PubChem CID 15562511) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4S)-hexa-1,5-diene-3,4-diol.

Molecular Properties

Compound Name(4S)-hexa-1,5-diene-3,4-diol
PubChem CID15562511
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4S)-hexa-1,5-diene-3,4-diol
SMILESC=CC(O)[C@@H](O)C=C
InChIInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2/t5-,6?/m0/s1
InChIKeyKUQWZSZYIQGTHT-ZBHICJROSA-N
XLogP0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenylhexa-1,5-dien-3-ol
CID 15402805
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
azane;4-methylpent-1-en-3-ol
CID 175575018
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
CID 101063277
hexakis(prop-2-ene-1,1-diol);zinc;hydrate
CID 177286598
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
4-hydroxy-3-methylhex-5-en-2-one
CID 18338976
1-aminohex-5-ene-2,3,4-triol
CID 75252970
4-aminohex-1-en-5-yn-3-ol
CID 20545573

Frequently Asked Questions

What is the IUPAC name of (4S)-hexa-1,5-diene-3,4-diol?
The IUPAC name of (4S)-hexa-1,5-diene-3,4-diol (CID 15562511) is (4S)-hexa-1,5-diene-3,4-diol.
What is the SMILES notation for (4S)-hexa-1,5-diene-3,4-diol?
The canonical SMILES for (4S)-hexa-1,5-diene-3,4-diol is C=CC(O)[C@@H](O)C=C.
What is the InChIKey of (4S)-hexa-1,5-diene-3,4-diol?
The InChIKey is KUQWZSZYIQGTHT-ZBHICJROSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2/t5-,6?/m0/s1.
What are the key properties of (4S)-hexa-1,5-diene-3,4-diol?
(4S)-hexa-1,5-diene-3,4-diol has a molecular weight of 114.14 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-hexa-1,5-diene-3,4-diol is sourced from PubChem (CID 15562511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).